3-methylbutyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 3-methylbutyl-[(5S)-1-methyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isopentyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-methylbutyl-[(5S)-1-methyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylbutyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isoamyl-[(5S)-1-methyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C1CCC2=C(C1)C(=NN2C)C(=O)N3CCSCC3

Isomeric SMILES

CC(C)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2C)C(=O)N3CCSCC3

InChI

InChI=1S/C18H30N4OS/c1-13(2)6-7-19-14-4-5-16-15(12-14)17(20-21(16)3)18(23)22-8-10-24-11-9-22/h13-14,19H,4-12H2,1-3H3/p+1/t14-/m0/s1